N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide

C15H20N2O3 — CID 79111832

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-17(14(18)12-3-2-8-16-11-12)13-4-6-15(7-5-13)19-9-10-20-15/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeyZQYSKDWDFBCYMJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.84
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide (PubChem CID 79111832) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide
PubChem CID79111832
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-17(14(18)12-3-2-8-16-11-12)13-4-6-15(7-5-13)19-9-10-20-15/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeyZQYSKDWDFBCYMJ-UHFFFAOYSA-N
XLogP1.84
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide
CID 79122394
N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-3-carboxamide
CID 79122946
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide
CID 107972294
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide
CID 81122796
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide
CID 110125246
N-(1-adamantyl)-N-methylpyridine-3-carboxamide
CID 2971348
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyloxolane-2-carboxamide
CID 79111397
N-(4,4-dimethylcyclohexyl)-N-methyl-3-sulfanylbenzamide
CID 107032511
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 115268669

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide (CID 79111832) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide is CN(C(=O)c1cccnc1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide?
The InChIKey is ZQYSKDWDFBCYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17(14(18)12-3-2-8-16-11-12)13-4-6-15(7-5-13)19-9-10-20-15/h2-3,8,11,13H,4-7,9-10H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 79111832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).